Abstract
An approach for the combined application of the hyperdynamics and the temperature-accelerated dynamics methods within the framework of a single method is presented. The combined method is used for the atomic simulation of elementary mass transfer events during thermal diffusion in the bulk of a two-dimensional deformed crystal containing a vacancy. The simulation results are compared with the results obtained for the same atomic system using classical molecular dynamics.
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More From: Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques
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